Molecule Details
| InChIKey | LPYOFVQCAYSFSJ-ZPHNVFFWSA-N |
|---|---|
| Compound Name | H-Gly-Cys-Cys-Ser-Tyr-Pro-Pro-Cys-Phe-Ala-Thr-Asn-Pro-Asp-Cys-al |
| Canonical SMILES | C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C=O)CS)[C@@H](C)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.12 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | IC50 | ChEMBL;BindingDB |
| P30926 | CHRNB4 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | IC50 | ChEMBL |
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | IC50 | ChEMBL |
| P36544 | CHRNA7 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | IC50 | ChEMBL;BindingDB |
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | IC50 | ChEMBL;BindingDB |
| Q15822 | CHRNA2 | Homo sapiens | Human | PF02931 PF02932 | 9.1 | IC50 | ChEMBL;BindingDB |